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Magnetism and spin-driven ferroelectricity in the multiferroic material α - Cu2V2O7.
- Source :
-
Physical Review B . 10/22/2017, Vol. 96 Issue 16, p1-1. 1p. - Publication Year :
- 2017
-
Abstract
- The magnetic anisotropy, exchange couplings, and spin-driven ferroelectricity in recently discovered multiferroic oxide α - Cu2V2O7 have been investigated using first-principles calculation and symmetry analysis. Density functional theory (DFT) calculations predict easy a -axis anisotropy, while applying an on-site Hubbard correction (DFT + U) converts the easy axis into b direction. These results can explain the discrepancy of easy axis between previous theoretical prediction and experimental results. The third-nearest-neighbor exchange interaction is proved to be dominant for the antiferromagnetic structure. The nearest-neighbor Dzyaloshinskii-Moriya interaction plays an important role in the origins of spin canting, and the canted magnetic moments are oriented predominantly along the c axis. Although the spin-dependent p - d hybridization mechanism induces a sizable electric polarization, the observed large polarization can be mainly attributed to the exchange-striction mechanism including spin-lattice coupling. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 24699950
- Volume :
- 96
- Issue :
- 16
- Database :
- Academic Search Index
- Journal :
- Physical Review B
- Publication Type :
- Academic Journal
- Accession number :
- 126717546
- Full Text :
- https://doi.org/10.1103/PhysRevB.96.165132